methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate

C15H14O3 — CID 102261708

IUPACmethyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate
SMILESCOC(=O)[C@H]1Cc2cc3ccccc3cc2CO1
InChIInChI=1S/C15H14O3/c1-17-15(16)14-8-12-6-10-4-2-3-5-11(10)7-13(12)9-18-14/h2-7,14H,8-9H2,1H3/t14-/m1/s1
InChIKeyQKIFEQGHTICKHK-CQSZACIVSA-N
MW242.27 g/mol
LogP2.45
Rot. Bonds1

About methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate

methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate (PubChem CID 102261708) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate
PubChem CID102261708
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namemethyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate
SMILESCOC(=O)[C@H]1Cc2cc3ccccc3cc2CO1
InChIInChI=1S/C15H14O3/c1-17-15(16)14-8-12-6-10-4-2-3-5-11(10)7-13(12)9-18-14/h2-7,14H,8-9H2,1H3/t14-/m1/s1
InChIKeyQKIFEQGHTICKHK-CQSZACIVSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate?
The IUPAC name of methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate (CID 102261708) is methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate.
What is the SMILES notation for methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate?
The canonical SMILES for methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate is COC(=O)[C@H]1Cc2cc3ccccc3cc2CO1.
What is the InChIKey of methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate?
The InChIKey is QKIFEQGHTICKHK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14O3/c1-17-15(16)14-8-12-6-10-4-2-3-5-11(10)7-13(12)9-18-14/h2-7,14H,8-9H2,1H3/t14-/m1/s1.
What are the key properties of methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate?
methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate has a molecular weight of 242.27 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate is sourced from PubChem (CID 102261708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).